CID 137321746

1h-isoindol-3-amine, 1-imino-5-phenyl-

Structural Information

Molecular Formula
C14H11N3
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=N)N=C3N
InChI
InChI=1S/C14H11N3/c15-13-11-7-6-10(8-12(11)14(16)17-13)9-4-2-1-3-5-9/h1-8H,(H3,15,16,17)
InChIKey
LXPAHWDZVJKVJT-UHFFFAOYSA-N
Compound name
3-imino-6-phenylisoindol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.09529 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.102566 146.8
[M+Na]+ 244.084508 156.3
[M-H]- 220.088014 153.6
[M+NH4]+ 239.129113 166.1
[M+K]+ 260.058448 150.6
[M+H-H2O]+ 204.092550 139.2
[M+HCOO]- 266.093491 172.3
[M+CH3COO]- 280.109141 160.1
[M+Na-2H]- 242.069956 153.3
[M]+ 221.09474142 144.3
[M]- 221.09583858 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.